4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole

C12H14FN3O2 — CID 143435113

IUPAC4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole
SMILESCCOC(OC)c1cn(-c2ccccc2F)nn1
InChIInChI=1S/C12H14FN3O2/c1-3-18-12(17-2)10-8-16(15-14-10)11-7-5-4-6-9(11)13/h4-8,12H,3H2,1-2H3
InChIKeyJWCWFNOWLYPMNJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.09
Rot. Bonds5

About 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole

4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole (PubChem CID 143435113) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole.

Molecular Properties

Compound Name4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole
PubChem CID143435113
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole
SMILESCCOC(OC)c1cn(-c2ccccc2F)nn1
InChIInChI=1S/C12H14FN3O2/c1-3-18-12(17-2)10-8-16(15-14-10)11-7-5-4-6-9(11)13/h4-8,12H,3H2,1-2H3
InChIKeyJWCWFNOWLYPMNJ-UHFFFAOYSA-N
XLogP2.09
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(diethoxymethyl)-1-(2-nitrophenyl)triazole
CID 66215222
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
1-(2-chloro-4-fluorophenyl)-4-(diethoxymethyl)triazole
CID 66214609
1-(5-bromo-4-fluoro-2-methylphenyl)-4-(diethoxymethyl)triazole
CID 107590389
1-(3-chloro-4-fluorophenyl)-4-(diethoxymethyl)triazole
CID 66216621
1-(2-bromo-5-methylphenyl)-4-(diethoxymethyl)triazole
CID 82757992
1-[1-(3-fluoro-2-methylphenyl)triazol-4-yl]butan-1-amine
CID 106227069
1-(3-chloro-5-fluorophenyl)-4-(diethoxymethyl)triazole
CID 107370972
1-(3,5-dichlorophenyl)-4-(diethoxymethyl)triazole
CID 66213811
4-(diethoxymethyl)-1-(2,4,6-tribromophenyl)triazole
CID 66214816
5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608184
1-(3-bromo-4-methylphenyl)-4-(diethoxymethyl)triazole
CID 66216429

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole?
The IUPAC name of 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole (CID 143435113) is 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole.
What is the SMILES notation for 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole?
The canonical SMILES for 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole is CCOC(OC)c1cn(-c2ccccc2F)nn1.
What is the InChIKey of 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole?
The InChIKey is JWCWFNOWLYPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-3-18-12(17-2)10-8-16(15-14-10)11-7-5-4-6-9(11)13/h4-8,12H,3H2,1-2H3.
What are the key properties of 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole?
4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole has a molecular weight of 251.26 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole is sourced from PubChem (CID 143435113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).